N-(2-bromo-5-methylphenyl)-2-chloro-6-methylpyrimidin-4-amine

C12H11BrClN3 — CID 82766798

IUPACN-(2-bromo-5-methylphenyl)-2-chloro-6-methylpyrimidin-4-amine
SMILESCc1ccc(Br)c(Nc2cc(C)nc(Cl)n2)c1
InChIInChI=1S/C12H11BrClN3/c1-7-3-4-9(13)10(5-7)16-11-6-8(2)15-12(14)17-11/h3-6H,1-2H3,(H,15,16,17)
InChIKeyOHDOMBFNJQUQFA-UHFFFAOYSA-N
MW312.60 g/mol
LogP4.25
Rot. Bonds2

About N-(2-bromo-5-methylphenyl)-2-chloro-6-methylpyrimidin-4-amine

N-(2-bromo-5-methylphenyl)-2-chloro-6-methylpyrimidin-4-amine (PubChem CID 82766798) has the molecular formula C12H11BrClN3 and a molecular weight of 312.60 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-2-chloro-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-2-chloro-6-methylpyrimidin-4-amine
PubChem CID82766798
Molecular FormulaC12H11BrClN3
Molecular Weight312.60 g/mol
Exact Mass310.98
IUPAC NameN-(2-bromo-5-methylphenyl)-2-chloro-6-methylpyrimidin-4-amine
SMILESCc1ccc(Br)c(Nc2cc(C)nc(Cl)n2)c1
InChIInChI=1S/C12H11BrClN3/c1-7-3-4-9(13)10(5-7)16-11-6-8(2)15-12(14)17-11/h3-6H,1-2H3,(H,15,16,17)
InChIKeyOHDOMBFNJQUQFA-UHFFFAOYSA-N
XLogP4.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.60
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-3-chlorophenyl)-2-chloro-6-methylpyrimidin-4-amine
CID 103481040
N-(2-bromo-5-methylphenyl)-6-chloro-2-cyclopropylpyrimidin-4-amine
CID 82767025
5-bromo-N-(2-bromo-5-methylphenyl)-2-chloropyrimidin-4-amine
CID 82766176
4-N-(2-bromo-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 82759241
4-N-(2-bromo-5-methylphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 82759582
4-bromo-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]benzonitrile
CID 107800105
2-chloro-N-(2-chloro-4-fluorophenyl)-6-methylpyrimidin-4-amine
CID 62477629
5-bromo-N-(2-bromo-5-methylphenyl)-4-methylpyridin-2-amine
CID 114870518
N-(2-bromo-5-methylphenyl)-4-chloro-1,3-thiazol-2-amine
CID 83155520
2-chloro-N-(2-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 55080697
N-(2-bromo-5-methylphenyl)-6-hydrazinylpyrazin-2-amine
CID 82758106
2-chloro-N-(3,5-dichlorophenyl)-6-methylpyrimidin-4-amine
CID 63548876

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-2-chloro-6-methylpyrimidin-4-amine?
The IUPAC name of N-(2-bromo-5-methylphenyl)-2-chloro-6-methylpyrimidin-4-amine (CID 82766798) is N-(2-bromo-5-methylphenyl)-2-chloro-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-2-chloro-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-2-chloro-6-methylpyrimidin-4-amine is Cc1ccc(Br)c(Nc2cc(C)nc(Cl)n2)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-2-chloro-6-methylpyrimidin-4-amine?
The InChIKey is OHDOMBFNJQUQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3/c1-7-3-4-9(13)10(5-7)16-11-6-8(2)15-12(14)17-11/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of N-(2-bromo-5-methylphenyl)-2-chloro-6-methylpyrimidin-4-amine?
N-(2-bromo-5-methylphenyl)-2-chloro-6-methylpyrimidin-4-amine has a molecular weight of 312.60 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)-2-chloro-6-methylpyrimidin-4-amine is sourced from PubChem (CID 82766798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).